2-Phenylethanesulfonamide

Base Information

• Chemical Name: 2-Phenylethanesulfonamide
• CAS No.: 16993-47-8
• Molecular Formula: C8H11 N O2 S
• Molecular Weight: 185.247
• European Community (EC) Number: 825-328-9
• DSSTox Substance ID: DTXSID20168772
• Nikkaji Number: J1.336.264E
• Wikidata: Q83038394
• ChEMBL ID: CHEMBL3798695
• Mol file: 16993-47-8.mol

Synonyms:2-Phenylethanesulfonamide;16993-47-8;2-phenylethane-1-sulfonamide;Benzeneethanesulfonamide;beta-Phenylethanesulfonamide;BRN 2831335;beta-Phenylaethylsulfonamid [German];beta-Phenylaethylsulfonamid;Ethanesulfonamide, 2-phenyl-;Benzeneethanesulfonamide (9CI);4-11-00-00499 (Beilstein Handbook Reference);SCHEMBL1644097;CHEMBL3798695;DTXSID20168772;2-phenyl-ethanesulfonic acid amide;MFCD00183151;AKOS008031132;BS-13670;LS-65617;EN300-61191;Z57965898

Chemical Property of 2-Phenylethanesulfonamide

Chemical Property:

• Vapor Pressure: 3.32E-05mmHg at 25°C
• Boiling Point: 354.6°Cat760mmHg
• Flash Point: 168.2°C
• Density: 1.26g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 185.05104977
• Heavy Atom Count: 12
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCS(=O)(=O)N

Technology Process of 2-Phenylethanesulfonamide

There total 15 articles about 2-Phenylethanesulfonamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.0%

2-phenylethylsulfonyl chloride (4025-71-2) → 2-(phenyl)ethanesulfonamide (16993-47-8)

Guidance literature:

With ammonia; In tetrahydrofuran; water; at -20 - 20 ℃; for 16h;

DOI:10.1021/jm3009103

Reference yield: 81.0%

N-ethyl 2-phenylethanrsulfonamide → 2-(phenyl)ethanesulfonamide (16993-47-8)

Guidance literature:

With [bis(acetoxy)iodo]benzene; iodine; In 1,2-dichloro-ethane; at 30 - 40 ℃; for 3h; Irradiation;

Reference yield: 71.0%

2-phenyl-ethanesulfinic acid (66499-24-9) → 2-(phenyl)ethanesulfonamide (16993-47-8)

Guidance literature:

With hydroxylamine-O-sulfonic acid; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1021/acs.orglett.1c03194

upstream raw materials:

tetradecane

β-phenethylsulfonyl azide

cyclohexane

benzene

Downstream raw materials:

3-Phenethylsulfonyl-1-pentyl-harnstoff

N-Butyl-N'-(2-phenyl-ethansulfonyl)-harnstoff

C₁₁H₁₅NO₄S

N-acetyl-2-(phenyl)ethanesulfonamide